SCHEMBL6202949

SCHEMBL6202949

CCCCCCOc1nc(Br)c(-c2ccc(C(F)(F)F)cc2OC)nc1NC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.46
LRRK2 Q5S007 2/20 0.40
SCN9A Q15858 14/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP3A4 P08684 1/20 0.35
SPR P35270 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6202172 1.00 CRHR1 (0.46) CRHR1LRRK2SCN9ACNR1CNR2
SCHEMBL6203030 0.99 CRHR1 (0.46) CRHR1LRRK2SCN9ACYP3A4SPR
SCHEMBL6204123 0.89 CRHR1 (0.56) CRHR1LRRK2SCN9ACNR1CNR2
SCHEMBL6202311 0.89 CRHR1 (0.56) CRHR1LRRK2SCN9ACNR1CNR2
SCHEMBL6203641 0.88 CRHR1 (0.56) CRHR1LRRK2SCN9ACNR1CNR2
SCHEMBL6202901 0.87 CRHR1 (0.47) CRHR1SCN9A
SCHEMBL6203243 0.86 CRHR1 (0.48) CRHR1SCN9A
SCHEMBL6202389 0.84 CRHR1 (0.44) CRHR1LRRK2
SCHEMBL6204985 0.84 CRHR1 (0.44) CRHR1LRRK2
SCHEMBL6201837 0.83 CRHR1 (0.33) CRHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed